CID 4059597

1-[(tert-butoxy)carbonyl]-3,3-dimethylpyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC1(CCN(C1C(=O)O)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C12H21NO4/c1-11(2,3)17-10(16)13-7-6-12(4,5)8(13)9(14)15/h8H,6-7H2,1-5H3,(H,14,15)
InChIKey
FVTWJYOGVFLUNJ-UHFFFAOYSA-N
Compound name
3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

243.14706 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 154.7
[M+Na]+ 266.13628 161.5
[M-H]- 242.13978 155.7
[M+NH4]+ 261.18088 174.4
[M+K]+ 282.11022 161.2
[M+H-H2O]+ 226.14432 150.9
[M+HCOO]- 288.14526 171.0
[M+CH3COO]- 302.16091 189.6
[M+Na-2H]- 264.12173 155.8
[M]+ 243.14651 155.8
[M]- 243.14761 155.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe